2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-nitro-1H-pyrimidin-6-one Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O4S/c1-18(2)8-10-3-4-11(23-10)9-24-6-5-15-14-16-7-12(19(21)22)13(20)17-14/h3-4,7H,5-6,8-9H2,1-2H3,(H2,15,16,17,20)